DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL5939140_dpp4

Atoms: 369
Models: 9
Best Energy: -7.321 kcal/mol

Binding Energies:
  • Pose 1: -7.321 kcal/mol
  • Pose 2: -7.193 kcal/mol
  • Pose 3: -7.158 kcal/mol
  • Pose 4: -7.144 kcal/mol
  • Pose 5: -7.075 kcal/mol
  • Pose 6: -7.039 kcal/mol
  • Pose 7: -7.026 kcal/mol
  • Pose 8: -6.911 kcal/mol
  • Pose 9: -6.851 kcal/mol
CHEMBL5939140_dpp4
Energy Plot
RMSD Scatter Plot